[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C20H26N4O2 — CID 109208083

IUPAC[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-11-13-24(14-12-23)20(25)19-15-17(8-10-22-19)21-9-7-16-3-5-18(26-2)6-4-16/h3-6,8,10,15H,7,9,11-14H2,1-2H3,(H,21,22)
InChIKeyFEHPMKQXGUSFGU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds6

About [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208083) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208083
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-11-13-24(14-12-23)20(25)19-15-17(8-10-22-19)21-9-7-16-3-5-18(26-2)6-4-16/h3-6,8,10,15H,7,9,11-14H2,1-2H3,(H,21,22)
InChIKeyFEHPMKQXGUSFGU-UHFFFAOYSA-N
XLogP2.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208752
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109202741
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208083) is [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(CCNc2ccnc(C(=O)N3CCN(C)CC3)c2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FEHPMKQXGUSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-11-13-24(14-12-23)20(25)19-15-17(8-10-22-19)21-9-7-16-3-5-18(26-2)6-4-16/h3-6,8,10,15H,7,9,11-14H2,1-2H3,(H,21,22).
What are the key properties of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).